(3R)-N-(4-chloro-2-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C19H18ClFN2O2 — CID 7774556

IUPAC(3R)-N-(4-chloro-2-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2C[C@H](C(=O)Nc3ccc(Cl)cc3F)CC2=O)cc1
InChIInChI=1S/C19H18ClFN2O2/c1-12-2-4-13(5-3-12)10-23-11-14(8-18(23)24)19(25)22-17-7-6-15(20)9-16(17)21/h2-7,9,14H,8,10-11H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyLLYUIIJVBXINIE-CQSZACIVSA-N
MW360.82 g/mol
LogP3.77
Rot. Bonds4

About (3R)-N-(4-chloro-2-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-N-(4-chloro-2-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 7774556) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is (3R)-N-(4-chloro-2-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-chloro-2-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID7774556
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC Name(3R)-N-(4-chloro-2-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2C[C@H](C(=O)Nc3ccc(Cl)cc3F)CC2=O)cc1
InChIInChI=1S/C19H18ClFN2O2/c1-12-2-4-13(5-3-12)10-23-11-14(8-18(23)24)19(25)22-17-7-6-15(20)9-16(17)21/h2-7,9,14H,8,10-11H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyLLYUIIJVBXINIE-CQSZACIVSA-N
XLogP3.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 45132865
(3R)-N-(4-chloro-2-fluorophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9097492
(3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2372506
(3S)-N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7733138
(3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502392
(3S)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502393
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55891516
(3R)-N-(4-methyl-6-oxo-1H-pyridin-3-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95788116
(3S)-N-(4-amino-3,5-dichlorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51858383
(3S)-1-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767596
N-(2-benzylphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42904791
(3R)-N-(5-chloro-2-methylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 7337070

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-chloro-2-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-chloro-2-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 7774556) is (3R)-N-(4-chloro-2-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-chloro-2-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-chloro-2-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(CN2C[C@H](C(=O)Nc3ccc(Cl)cc3F)CC2=O)cc1.
What is the InChIKey of (3R)-N-(4-chloro-2-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LLYUIIJVBXINIE-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c1-12-2-4-13(5-3-12)10-23-11-14(8-18(23)24)19(25)22-17-7-6-15(20)9-16(17)21/h2-7,9,14H,8,10-11H2,1H3,(H,22,25)/t14-/m1/s1.
What are the key properties of (3R)-N-(4-chloro-2-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(4-chloro-2-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 360.82 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-chloro-2-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 7774556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).